2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide

C14H16N2O3S — CID 28522742

IUPAC2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C)c(N)c1
InChIInChI=1S/C14H16N2O3S/c1-10-5-3-4-6-13(10)16-20(17,18)14-8-7-11(19-2)9-12(14)15/h3-9,16H,15H2,1-2H3
InChIKeyCCNVVNZSYSRUML-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide

2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 28522742) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
PubChem CID28522742
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C)c(N)c1
InChIInChI=1S/C14H16N2O3S/c1-10-5-3-4-6-13(10)16-20(17,18)14-8-7-11(19-2)9-12(14)15/h3-9,16H,15H2,1-2H3
InChIKeyCCNVVNZSYSRUML-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 102803440
2-amino-N-(2,4-dimethoxyphenyl)benzenesulfonamide
CID 28590092
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 43555521
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
2-amino-4-methoxy-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63998092
2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide (CID 28522742) is 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2C)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is CCNVVNZSYSRUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-5-3-4-6-13(10)16-20(17,18)14-8-7-11(19-2)9-12(14)15/h3-9,16H,15H2,1-2H3.
What are the key properties of 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 28522742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).